USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER DNA 25-JAN-08 3C2J TITLE CRYSTAL STRUCTURE ANALYSIS OF TRIOXACARCIN A COVALENTLY BOUND TO TITLE 2 D(AACCGGTT) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*DAP*DAP*DCP*DCP*DGP*DGP*DTP*DT)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS DNA-DRUG COMPLEX, BASE FLIPPING, B-DNA, DNA EXPDTA X-RAY DIFFRACTION AUTHOR R.PFOH,G.M.SHELDRICK REVDAT 4 13-JUL-11 3C2J 1 VERSN REVDAT 3 24-FEB-09 3C2J 1 VERSN REVDAT 2 29-JUL-08 3C2J 1 HETNAM HETSYN JRNL REVDAT 1 03-JUN-08 3C2J 0 JRNL AUTH R.PFOH,H.LAATSCH,G.M.SHELDRICK JRNL TITL CRYSTAL STRUCTURE OF TRIOXACARCIN A COVALENTLY BOUND TO DNA JRNL REF NUCLEIC ACIDS RES. V. 36 3508 2008 JRNL REFN ISSN 0305-1048 JRNL PMID 18453630 JRNL DOI 10.1093/NAR/GKN245 REMARK 2 REMARK 2 RESOLUTION. 1.78 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.78 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.53 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 6802 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.222 REMARK 3 R VALUE (WORKING SET) : 0.220 REMARK 3 FREE R VALUE : 0.265 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.600 REMARK 3 FREE R VALUE TEST SET COUNT : 314 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.78 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.83 REMARK 3 REFLECTION IN BIN (WORKING SET) : 458 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.3550 REMARK 3 BIN FREE R VALUE SET COUNT : 30 REMARK 3 BIN FREE R VALUE : 0.4150 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 0 REMARK 3 NUCLEIC ACID ATOMS : 322 REMARK 3 HETEROGEN ATOMS : 124 REMARK 3 SOLVENT ATOMS : 21 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 53.16 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.01000 REMARK 3 B22 (A**2) : -1.01000 REMARK 3 B33 (A**2) : 2.02000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.127 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.128 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.129 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.799 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.965 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.962 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 500 ; 0.016 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 180 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 780 ; 2.490 ; 3.000 REMARK 3 BOND ANGLES OTHERS (DEGREES): 468 ; 1.566 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 94 ; 0.092 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 226 ; 0.025 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 34 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 118 ; 0.198 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 227 ; 0.246 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 244 ; 0.257 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 112 ; 0.121 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 27 ; 0.163 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 12 ; 0.096 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 14 ; 0.304 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 2 ; 0.091 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 774 ; 2.039 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 780 ; 3.030 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 2 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 1 A 8 REMARK 3 RESIDUE RANGE : B 102 B 108 REMARK 3 ORIGIN FOR THE GROUP (A): 27.8075 26.7001 10.8679 REMARK 3 T TENSOR REMARK 3 T11: 0.0408 T22: 0.0232 REMARK 3 T33: 0.0633 T12: 0.0630 REMARK 3 T13: -0.0403 T23: -0.0308 REMARK 3 L TENSOR REMARK 3 L11: 6.0011 L22: 6.9791 REMARK 3 L33: 4.5977 L12: -5.6741 REMARK 3 L13: 4.8055 L23: -5.6437 REMARK 3 S TENSOR REMARK 3 S11: -0.0461 S12: -0.1295 S13: -0.0523 REMARK 3 S21: 0.0054 S22: 0.0876 S23: -0.0697 REMARK 3 S31: -0.0277 S32: -0.1275 S33: -0.0415 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3C2J COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-FEB-08. REMARK 100 THE RCSB ID CODE IS RCSB046259. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 08-AUG-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : BESSY REMARK 200 BEAMLINE : 14.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.92039, 0.92032, 0.92047 REMARK 200 MONOCHROMATOR : SI 111 DOUBLE CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MAR CCD 165 MM REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SADABS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8225 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.670 REMARK 200 RESOLUTION RANGE LOW (A) : 37.600 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 12.500 REMARK 200 R MERGE (I) : 0.03900 REMARK 200 R SYM (I) : 0.02100 REMARK 200 FOR THE DATA SET : 27.8100 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.67 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.7 REMARK 200 DATA REDUNDANCY IN SHELL : 8.98 REMARK 200 R MERGE FOR SHELL (I) : 0.64000 REMARK 200 R SYM FOR SHELL (I) : 0.35000 REMARK 200 FOR SHELL : 2.920 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHELXD/E REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.47 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.50 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: TRI-AMMONIUMCITRATE, DMSO, PH 7.0, REMARK 280 HANGING DROP, TEMPERATURE 313K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y,X,Z+1/4 REMARK 290 4555 Y,-X,Z+3/4 REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z+1/2 REMARK 290 7555 Y,X,-Z+3/4 REMARK 290 8555 -Y,-X,-Z+1/4 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.81000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 22.90500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 68.71500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 45.81000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 68.71500 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 22.90500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DA A 1 N3 DA A 1 C4 0.050 REMARK 500 DG B 106 O3' DG B 106 C3' -0.043 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA A 1 N1 - C2 - N3 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 1 C2 - N3 - C4 ANGL. DEV. = -5.2 DEGREES REMARK 500 DA A 1 C5 - N7 - C8 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA A 2 N1 - C6 - N6 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 3 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 DC A 4 C2 - N3 - C4 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC A 4 N1 - C2 - O2 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG A 5 O5' - P - OP2 ANGL. DEV. = -6.1 DEGREES REMARK 500 DG A 5 O4' - C1' - N9 ANGL. DEV. = -5.1 DEGREES REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = -8.0 DEGREES REMARK 500 DG A 6 C2 - N3 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA B 101 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES REMARK 500 DA B 101 C1' - O4' - C4' ANGL. DEV. = -10.4 DEGREES REMARK 500 DA B 101 O4' - C1' - N9 ANGL. DEV. = 5.5 DEGREES REMARK 500 DA B 102 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA B 102 C5 - C6 - N1 ANGL. DEV. = -3.5 DEGREES REMARK 500 DC B 103 C3' - C2' - C1' ANGL. DEV. = -5.1 DEGREES REMARK 500 DG B 105 C2 - N3 - C4 ANGL. DEV. = -3.3 DEGREES REMARK 500 DG B 106 O4' - C1' - N9 ANGL. DEV. = -6.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GGT A 9 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GGT B 109 DBREF 3C2J A 1 8 PDB 3C2J 3C2J 1 8 DBREF 3C2J B 101 108 PDB 3C2J 3C2J 101 108 SEQRES 1 A 8 DA DA DC DC DG DG DT DT SEQRES 1 B 8 DA DA DC DC DG DG DT DT HET GGT A 9 62 HET GGT B 109 62 HETNAM GGT TRIOXACARCIN A HETSYN GGT (1S,2R,3AS,4S,8S,10S,13AS)-13A-[(4-C-ACETYL-2,6- HETSYN 2 GGT DIDEOXY-ALPHA-L-XYLO-HEXOPYRANOSYL)OXY]-2- HETSYN 3 GGT (DIMETHOXYMETHYL)-10,12-DIHYDROXY-7-METHOXY-5-METHYL- HETSYN 4 GGT 11-OXO-3A,8,9,10,11,13A-HEXAHYDRO-4H-SPIRO[2,4- HETSYN 5 GGT EPOXYFURO[3,2-B]NAPHTHO[2,3-H]CHROMENE-1,2'-OXIRAN]-8- HETSYN 6 GGT YL 4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-XYLO- HETSYN 7 GGT HEXOPYRANOSIDE FORMUL 3 GGT 2(C42 H52 O20) FORMUL 5 HOH *21(H2 O) LINK N7 DG A 6 C17 GGT A 9 1555 1555 1.45 LINK N7 DG B 106 C17 GGT B 109 1555 1555 1.42 SITE *** AC1 14 DA A 1 DG A 5 DG A 6 DT A 7 SITE *** AC1 14 DT A 8 HOH A 201 HOH A 202 HOH A 208 SITE *** AC1 14 HOH A 215 DA B 101 DA B 102 DC B 103 SITE *** AC1 14 DC B 104 HOH B 217 SITE *** AC2 11 DA A 1 DA A 2 DC A 3 DC A 4 SITE *** AC2 11 HOH A 213 DG B 105 DG B 106 DT B 107 SITE *** AC2 11 DT B 108 HOH B 210 HOH B 211 CRYST1 37.600 37.600 91.620 90.00 90.00 90.00 P 41 2 2 16 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.026596 0.000000 0.000000 0.00000 SCALE2 0.000000 0.026596 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010915 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 GGTH17A : A 9 GGT C17 : A 6 DG N7 :(H bumps) USER MOD NoAdj-H: A 9 GGT HO5 : A 9 GGT O5 : A 9 GGT C9 :(short bond) USER MOD NoAdj-H: A 9 GGT H17 : A 9 GGT C17 : A 6 DG N7 :(H bumps) USER MOD NoAdj-H: B 109 GGTH17A : B 109 GGT C17 : B 106 DG N7 :(H bumps) USER MOD NoAdj-H: B 109 GGT HO5 : B 109 GGT O5 : B 109 GGT C9 :(short bond) USER MOD NoAdj-H: B 109 GGT H17 : B 109 GGT C17 : B 106 DG N7 :(H bumps) USER MOD Single : A 1 DA O5' : rot 70:sc= 1.4 USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.312 (180deg=-0.312) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : A 9 GGT O2 : rot 150:sc= 0.778 USER MOD Single : A 9 GGT O2' : rot 180:sc= 0.0781 USER MOD Single : A 9 GGT O42 : rot -88:sc= 0.332 USER MOD Single : A 9 GGT O43 : rot 169:sc= 0.087 USER MOD Single : B 101 DA O5' : rot -14:sc= 0.147 USER MOD Single : B 107 DT C7 :methyl -30:sc=-0.00117 (180deg=-0.458) USER MOD Single : B 108 DT C7 :methyl -30:sc= -0.0322 (180deg=-0.0923) USER MOD Single : B 108 DT O3' : rot 180:sc= 0 USER MOD Single : B 109 GGT O2 : rot 138:sc= 0.977 USER MOD Single : B 109 GGT O2' : rot 180:sc= 0.0808 USER MOD Single : B 109 GGT O42 : rot -86:sc= 0.715 USER MOD Single : B 109 GGT O43 : rot -25:sc= 0.0185 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 34.406 23.320 21.737 1.00 46.57 O ATOM 2 C5' DA A 1 34.875 24.610 21.525 1.00 48.75 C ATOM 3 C4' DA A 1 36.168 24.510 20.729 1.00 47.17 C ATOM 4 O4' DA A 1 37.207 23.931 21.527 1.00 43.17 O ATOM 5 C3' DA A 1 36.119 23.650 19.474 1.00 48.56 C ATOM 6 O3' DA A 1 36.877 24.233 18.416 1.00 48.51 O ATOM 7 C2' DA A 1 36.753 22.341 19.913 1.00 45.53 C ATOM 8 C1' DA A 1 37.785 22.786 20.927 1.00 41.85 C ATOM 9 N9 DA A 1 38.174 21.845 21.957 1.00 41.20 N ATOM 10 C8 DA A 1 39.392 21.352 22.230 1.00 38.38 C ATOM 11 N7 DA A 1 39.465 20.518 23.250 1.00 39.71 N ATOM 12 C5 DA A 1 38.116 20.484 23.655 1.00 39.39 C ATOM 13 C6 DA A 1 37.519 19.738 24.718 1.00 41.62 C ATOM 14 N6 DA A 1 38.196 18.932 25.508 1.00 40.31 N ATOM 15 N1 DA A 1 36.164 19.888 24.862 1.00 40.46 N ATOM 16 C2 DA A 1 35.546 20.746 24.075 1.00 38.16 C ATOM 17 N3 DA A 1 35.958 21.498 23.006 1.00 42.32 N ATOM 18 C4 DA A 1 37.326 21.255 22.888 1.00 42.72 C ATOM 0 H5' DA A 1 35.030 25.058 22.371 1.00 48.75 H new ATOM 0 H5'' DA A 1 34.218 25.135 21.042 1.00 48.75 H new ATOM 0 H4' DA A 1 36.327 25.431 20.468 1.00 47.17 H new ATOM 0 H3' DA A 1 35.217 23.547 19.132 1.00 48.56 H new ATOM 0 H2' DA A 1 36.101 21.740 20.305 1.00 45.53 H new ATOM 0 H2'' DA A 1 37.160 21.872 19.168 1.00 45.53 H new ATOM 0 HO5' DA A 1 34.911 22.924 22.279 1.00 46.57 H new ATOM 0 H1' DA A 1 38.621 22.923 20.454 1.00 41.85 H new ATOM 0 H8 DA A 1 40.141 21.585 21.730 1.00 38.38 H new ATOM 0 H61 DA A 1 37.791 18.504 26.135 1.00 40.31 H new ATOM 0 H62 DA A 1 39.043 18.833 25.398 1.00 40.31 H new ATOM 0 H2 DA A 1 34.649 20.865 24.288 1.00 38.16 H new ATOM 19 P DA A 2 36.256 25.356 17.509 1.00 47.26 P ATOM 20 OP1 DA A 2 36.633 26.590 18.207 1.00 50.47 O ATOM 21 OP2 DA A 2 34.878 25.132 17.134 1.00 48.09 O ATOM 22 O5' DA A 2 37.085 25.098 16.202 1.00 48.95 O ATOM 23 C5' DA A 2 38.434 25.661 16.223 1.00 49.25 C ATOM 24 C4' DA A 2 39.199 25.252 14.963 1.00 47.61 C ATOM 25 O4' DA A 2 39.072 23.835 14.910 1.00 44.28 O ATOM 26 C3' DA A 2 38.541 25.748 13.666 1.00 48.42 C ATOM 27 O3' DA A 2 39.489 25.876 12.626 1.00 49.51 O ATOM 28 C2' DA A 2 37.613 24.601 13.288 1.00 49.60 C ATOM 29 C1' DA A 2 38.390 23.398 13.772 1.00 48.57 C ATOM 30 N9 DA A 2 37.507 22.254 14.120 1.00 47.94 N ATOM 31 C8 DA A 2 36.889 21.989 15.297 1.00 48.65 C ATOM 32 N7 DA A 2 36.131 20.890 15.273 1.00 47.91 N ATOM 33 C5 DA A 2 36.340 20.410 13.998 1.00 47.50 C ATOM 34 C6 DA A 2 35.797 19.315 13.341 1.00 46.85 C ATOM 35 N6 DA A 2 34.985 18.460 13.985 1.00 48.18 N ATOM 36 N1 DA A 2 36.098 19.179 12.047 1.00 48.23 N ATOM 37 C2 DA A 2 36.946 20.025 11.462 1.00 48.10 C ATOM 38 N3 DA A 2 37.492 21.106 12.010 1.00 46.49 N ATOM 39 C4 DA A 2 37.128 21.251 13.267 1.00 46.81 C ATOM 0 H5' DA A 2 38.908 25.352 17.011 1.00 49.25 H new ATOM 0 H5'' DA A 2 38.387 26.628 16.281 1.00 49.25 H new ATOM 0 H4' DA A 2 40.099 25.610 15.014 1.00 47.61 H new ATOM 0 H3' DA A 2 38.113 26.610 13.789 1.00 48.42 H new ATOM 0 H2' DA A 2 36.749 24.674 13.723 1.00 49.60 H new ATOM 0 H2'' DA A 2 37.448 24.567 12.333 1.00 49.60 H new ATOM 0 H1' DA A 2 38.982 23.074 13.076 1.00 48.57 H new ATOM 0 H8 DA A 2 36.984 22.524 16.052 1.00 48.65 H new ATOM 0 H61 DA A 2 34.654 17.785 13.568 1.00 48.18 H new ATOM 0 H62 DA A 2 34.796 18.588 14.814 1.00 48.18 H new ATOM 0 H2 DA A 2 37.179 19.840 10.581 1.00 48.10 H new ATOM 40 P DC A 3 39.900 27.341 12.232 1.00 51.91 P ATOM 41 OP1 DC A 3 41.157 27.156 11.465 1.00 50.97 O ATOM 42 OP2 DC A 3 39.859 28.235 13.419 1.00 51.10 O ATOM 43 O5' DC A 3 38.732 27.842 11.340 1.00 48.42 O ATOM 44 C5' DC A 3 38.660 27.299 10.046 1.00 51.24 C ATOM 45 C4' DC A 3 37.366 27.652 9.352 1.00 50.20 C ATOM 46 O4' DC A 3 36.277 26.948 10.003 1.00 53.52 O ATOM 47 C3' DC A 3 36.919 29.100 9.414 1.00 53.00 C ATOM 48 O3' DC A 3 36.182 29.393 8.226 1.00 55.95 O ATOM 49 C2' DC A 3 35.981 29.169 10.628 1.00 51.31 C ATOM 50 C1' DC A 3 35.268 27.844 10.450 1.00 49.71 C ATOM 51 N1 DC A 3 34.652 27.157 11.642 1.00 51.23 N ATOM 52 C2 DC A 3 33.634 26.212 11.380 1.00 51.76 C ATOM 53 O2 DC A 3 33.232 25.951 10.218 1.00 51.55 O ATOM 54 N3 DC A 3 33.127 25.556 12.444 1.00 51.40 N ATOM 55 C4 DC A 3 33.539 25.774 13.682 1.00 50.13 C ATOM 56 N4 DC A 3 32.939 25.027 14.627 1.00 50.86 N ATOM 57 C5 DC A 3 34.600 26.691 13.978 1.00 50.86 C ATOM 58 C6 DC A 3 35.103 27.353 12.928 1.00 51.16 C ATOM 0 H5' DC A 3 38.746 26.334 10.096 1.00 51.24 H new ATOM 0 H5'' DC A 3 39.407 27.623 9.519 1.00 51.24 H new ATOM 0 H4' DC A 3 37.550 27.422 8.428 1.00 50.20 H new ATOM 0 H3' DC A 3 37.657 29.725 9.487 1.00 53.00 H new ATOM 0 H2' DC A 3 36.460 29.227 11.469 1.00 51.31 H new ATOM 0 H2'' DC A 3 35.377 29.927 10.593 1.00 51.31 H new ATOM 0 H1' DC A 3 34.517 28.050 9.872 1.00 49.71 H new ATOM 0 H41 DC A 3 33.161 25.119 15.453 1.00 50.86 H new ATOM 0 H42 DC A 3 32.334 24.457 14.405 1.00 50.86 H new ATOM 0 H5 DC A 3 34.918 26.818 14.843 1.00 50.86 H new ATOM 0 H6 DC A 3 35.784 27.970 13.073 1.00 51.16 H new ATOM 59 P DC A 4 36.087 30.900 7.685 1.00 56.88 P ATOM 60 OP1 DC A 4 37.455 31.073 7.136 1.00 58.63 O ATOM 61 OP2 DC A 4 35.593 31.884 8.686 1.00 53.32 O ATOM 62 O5' DC A 4 34.914 30.698 6.590 1.00 53.48 O ATOM 63 C5' DC A 4 35.067 29.665 5.636 1.00 54.27 C ATOM 64 C4' DC A 4 33.712 29.139 5.251 1.00 54.31 C ATOM 65 O4' DC A 4 33.190 28.534 6.461 1.00 53.59 O ATOM 66 C3' DC A 4 32.683 30.180 4.781 1.00 55.41 C ATOM 67 O3' DC A 4 32.001 29.742 3.549 1.00 57.77 O ATOM 68 C2' DC A 4 31.775 30.297 5.999 1.00 53.63 C ATOM 69 C1' DC A 4 31.862 28.913 6.663 1.00 53.25 C ATOM 70 N1 DC A 4 31.688 28.846 8.106 1.00 49.49 N ATOM 71 C2 DC A 4 30.736 27.968 8.685 1.00 53.00 C ATOM 72 O2 DC A 4 30.004 27.215 8.010 1.00 52.52 O ATOM 73 N3 DC A 4 30.649 27.952 10.031 1.00 51.49 N ATOM 74 C4 DC A 4 31.390 28.708 10.810 1.00 51.16 C ATOM 75 N4 DC A 4 31.213 28.594 12.126 1.00 50.88 N ATOM 76 C5 DC A 4 32.350 29.603 10.239 1.00 51.44 C ATOM 77 C6 DC A 4 32.457 29.641 8.902 1.00 51.42 C ATOM 0 H5' DC A 4 35.611 28.950 6.002 1.00 54.27 H new ATOM 0 H5'' DC A 4 35.530 30.000 4.852 1.00 54.27 H new ATOM 0 H4' DC A 4 33.836 28.549 4.491 1.00 54.31 H new ATOM 0 H3' DC A 4 33.055 31.038 4.523 1.00 55.41 H new ATOM 0 H2' DC A 4 32.074 30.998 6.599 1.00 53.63 H new ATOM 0 H2'' DC A 4 30.864 30.512 5.744 1.00 53.63 H new ATOM 0 H1' DC A 4 31.149 28.377 6.281 1.00 53.25 H new ATOM 0 H41 DC A 4 31.681 29.073 12.666 1.00 50.88 H new ATOM 0 H42 DC A 4 30.631 28.041 12.435 1.00 50.88 H new ATOM 0 H5 DC A 4 32.883 30.142 10.778 1.00 51.44 H new ATOM 0 H6 DC A 4 33.069 30.222 8.510 1.00 51.42 H new ATOM 78 P DG A 5 30.711 30.497 2.949 1.00 54.92 P ATOM 79 OP1 DG A 5 30.919 30.276 1.508 1.00 56.08 O ATOM 80 OP2 DG A 5 30.522 31.790 3.620 1.00 61.25 O ATOM 81 O5' DG A 5 29.414 29.745 3.455 1.00 54.00 O ATOM 82 C5' DG A 5 29.322 28.328 3.258 1.00 53.38 C ATOM 83 C4' DG A 5 27.918 27.838 3.570 1.00 52.16 C ATOM 84 O4' DG A 5 27.730 27.835 5.013 1.00 50.73 O ATOM 85 C3' DG A 5 26.744 28.660 2.995 1.00 48.27 C ATOM 86 O3' DG A 5 25.650 27.820 2.796 1.00 48.03 O ATOM 87 C2' DG A 5 26.466 29.652 4.132 1.00 50.65 C ATOM 88 C1' DG A 5 26.722 28.821 5.384 1.00 47.44 C ATOM 89 N9 DG A 5 27.313 29.466 6.552 1.00 45.56 N ATOM 90 C8 DG A 5 28.315 30.392 6.574 1.00 47.23 C ATOM 91 N7 DG A 5 28.689 30.735 7.810 1.00 48.88 N ATOM 92 C5 DG A 5 27.912 29.934 8.621 1.00 46.44 C ATOM 93 C6 DG A 5 27.908 29.865 10.047 1.00 47.71 C ATOM 94 O6 DG A 5 28.609 30.500 10.817 1.00 48.44 O ATOM 95 N1 DG A 5 26.981 28.962 10.505 1.00 46.17 N ATOM 96 C2 DG A 5 26.195 28.197 9.684 1.00 44.86 C ATOM 97 N2 DG A 5 25.368 27.345 10.277 1.00 46.98 N ATOM 98 N3 DG A 5 26.157 28.261 8.339 1.00 45.49 N ATOM 99 C4 DG A 5 27.053 29.170 7.889 1.00 43.54 C ATOM 0 H5' DG A 5 29.963 27.874 3.828 1.00 53.38 H new ATOM 0 H5'' DG A 5 29.551 28.108 2.342 1.00 53.38 H new ATOM 0 H4' DG A 5 27.883 26.966 3.147 1.00 52.16 H new ATOM 0 H3' DG A 5 26.925 29.088 2.144 1.00 48.27 H new ATOM 0 H2' DG A 5 27.053 30.423 4.087 1.00 50.65 H new ATOM 0 H2'' DG A 5 25.556 29.986 4.103 1.00 50.65 H new ATOM 0 H1' DG A 5 25.837 28.524 5.647 1.00 47.44 H new ATOM 0 H8 DG A 5 28.699 30.749 5.806 1.00 47.23 H new ATOM 0 H1 DG A 5 26.888 28.871 11.355 1.00 46.17 H new ATOM 0 H21 DG A 5 24.855 26.843 9.803 1.00 46.98 H new ATOM 0 H22 DG A 5 25.345 27.294 11.135 1.00 46.98 H new ATOM 100 P DG A 6 24.227 28.266 2.226 1.00 50.83 P ATOM 101 OP1 DG A 6 23.722 27.130 1.460 1.00 48.60 O ATOM 102 OP2 DG A 6 24.379 29.621 1.672 1.00 49.83 O ATOM 103 O5' DG A 6 23.320 28.469 3.498 1.00 51.37 O ATOM 104 C5' DG A 6 22.972 27.304 4.280 1.00 52.28 C ATOM 105 C4' DG A 6 22.049 27.722 5.396 1.00 50.13 C ATOM 106 O4' DG A 6 22.778 28.575 6.338 1.00 47.96 O ATOM 107 C3' DG A 6 20.849 28.545 4.986 1.00 47.83 C ATOM 108 O3' DG A 6 19.762 28.195 5.799 1.00 50.25 O ATOM 109 C2' DG A 6 21.207 29.987 5.319 1.00 48.14 C ATOM 110 C1' DG A 6 22.009 29.781 6.603 1.00 46.80 C ATOM 111 N9 DG A 6 23.085 30.684 7.001 1.00 44.97 N ATOM 112 C8 DG A 6 23.847 31.442 6.201 1.00 46.65 C ATOM 113 N7 DG A 6 24.795 32.098 6.807 1.00 46.31 N ATOM 114 C5 DG A 6 24.651 31.728 8.119 1.00 44.61 C ATOM 115 C6 DG A 6 25.427 32.082 9.239 1.00 48.04 C ATOM 116 O6 DG A 6 26.415 32.851 9.318 1.00 47.08 O ATOM 117 N1 DG A 6 24.941 31.456 10.343 1.00 45.64 N ATOM 118 C2 DG A 6 23.850 30.612 10.370 1.00 46.03 C ATOM 119 N2 DG A 6 23.504 30.117 11.564 1.00 45.27 N ATOM 120 N3 DG A 6 23.118 30.246 9.322 1.00 45.61 N ATOM 121 C4 DG A 6 23.593 30.849 8.237 1.00 44.83 C ATOM 0 H5' DG A 6 23.772 26.893 4.643 1.00 52.28 H new ATOM 0 H5'' DG A 6 22.541 26.640 3.719 1.00 52.28 H new ATOM 0 H4' DG A 6 21.736 26.880 5.761 1.00 50.13 H new ATOM 0 H3' DG A 6 20.628 28.411 4.051 1.00 47.83 H new ATOM 0 H2' DG A 6 21.731 30.409 4.620 1.00 48.14 H new ATOM 0 H2'' DG A 6 20.422 30.540 5.458 1.00 48.14 H new ATOM 0 H1' DG A 6 21.329 29.851 7.291 1.00 46.80 H new ATOM 0 H8 DG A 6 23.709 31.496 5.283 1.00 46.65 H new ATOM 0 H1 DG A 6 25.348 31.598 11.087 1.00 45.64 H new ATOM 0 H21 DG A 6 22.830 29.586 11.631 1.00 45.27 H new ATOM 0 H22 DG A 6 23.955 30.329 12.265 1.00 45.27 H new ATOM 122 P DT A 7 18.402 27.638 5.191 1.00 51.53 P ATOM 123 OP1 DT A 7 17.875 26.704 6.200 1.00 50.71 O ATOM 124 OP2 DT A 7 18.688 27.023 3.901 1.00 49.61 O ATOM 125 O5' DT A 7 17.437 28.863 5.064 1.00 49.32 O ATOM 126 C5' DT A 7 17.057 29.671 6.146 1.00 45.82 C ATOM 127 C4' DT A 7 16.549 31.033 5.716 1.00 48.57 C ATOM 128 O4' DT A 7 17.602 31.741 5.002 1.00 45.53 O ATOM 129 C3' DT A 7 15.296 30.999 4.816 1.00 47.08 C ATOM 130 O3' DT A 7 14.479 32.128 5.056 1.00 49.35 O ATOM 131 C2' DT A 7 15.936 31.071 3.448 1.00 47.10 C ATOM 132 C1' DT A 7 17.072 32.080 3.747 1.00 45.60 C ATOM 133 N1 DT A 7 18.177 32.051 2.743 1.00 40.87 N ATOM 134 C2 DT A 7 18.585 33.281 2.279 1.00 42.70 C ATOM 135 O2 DT A 7 18.103 34.302 2.634 1.00 43.25 O ATOM 136 N3 DT A 7 19.619 33.202 1.375 1.00 41.29 N ATOM 137 C4 DT A 7 20.292 32.106 0.893 1.00 45.16 C ATOM 138 O4 DT A 7 21.195 32.195 0.050 1.00 44.16 O ATOM 139 C5 DT A 7 19.857 30.839 1.439 1.00 42.81 C ATOM 140 C7 DT A 7 20.473 29.564 0.953 1.00 44.97 C ATOM 141 C6 DT A 7 18.810 30.915 2.310 1.00 44.06 C ATOM 0 H5' DT A 7 17.816 29.787 6.739 1.00 45.82 H new ATOM 0 H5'' DT A 7 16.366 29.219 6.654 1.00 45.82 H new ATOM 0 H4' DT A 7 16.293 31.484 6.536 1.00 48.57 H new ATOM 0 H3' DT A 7 14.716 30.233 4.950 1.00 47.08 H new ATOM 0 H2' DT A 7 16.271 30.212 3.148 1.00 47.10 H new ATOM 0 H2'' DT A 7 15.324 31.391 2.767 1.00 47.10 H new ATOM 0 H1' DT A 7 16.696 32.974 3.719 1.00 45.60 H new ATOM 0 H3 DT A 7 19.886 33.958 1.063 1.00 41.29 H new ATOM 0 H71 DT A 7 20.463 28.907 1.667 1.00 44.97 H new ATOM 0 H72 DT A 7 19.967 29.227 0.197 1.00 44.97 H new ATOM 0 H73 DT A 7 21.389 29.730 0.680 1.00 44.97 H new ATOM 0 H6 DT A 7 18.491 30.109 2.646 1.00 44.06 H new ATOM 142 P DT A 8 13.062 32.023 5.780 1.00 52.49 P ATOM 143 OP1 DT A 8 12.626 30.648 5.437 1.00 47.81 O ATOM 144 OP2 DT A 8 12.298 33.275 5.609 1.00 49.14 O ATOM 145 O5' DT A 8 13.381 31.987 7.341 1.00 49.80 O ATOM 146 C5' DT A 8 13.734 30.813 7.978 1.00 51.29 C ATOM 147 C4' DT A 8 14.181 31.122 9.376 1.00 50.97 C ATOM 148 O4' DT A 8 15.471 31.783 9.271 1.00 51.15 O ATOM 149 C3' DT A 8 13.327 31.999 10.282 1.00 48.94 C ATOM 150 O3' DT A 8 13.431 31.493 11.602 1.00 52.71 O ATOM 151 C2' DT A 8 14.033 33.356 10.195 1.00 50.22 C ATOM 152 C1' DT A 8 15.494 32.947 10.068 1.00 48.10 C ATOM 153 N1 DT A 8 16.386 33.883 9.370 1.00 42.56 N ATOM 154 C2 DT A 8 17.413 34.477 10.021 1.00 45.94 C ATOM 155 O2 DT A 8 17.612 34.328 11.186 1.00 43.89 O ATOM 156 N3 DT A 8 18.199 35.308 9.242 1.00 44.58 N ATOM 157 C4 DT A 8 18.046 35.597 7.902 1.00 43.26 C ATOM 158 O4 DT A 8 18.830 36.320 7.326 1.00 42.70 O ATOM 159 C5 DT A 8 16.960 34.928 7.265 1.00 43.97 C ATOM 160 C7 DT A 8 16.621 35.148 5.813 1.00 43.34 C ATOM 161 C6 DT A 8 16.210 34.095 8.035 1.00 43.62 C ATOM 0 H5' DT A 8 14.446 30.370 7.490 1.00 51.29 H new ATOM 0 H5'' DT A 8 12.980 30.203 7.996 1.00 51.29 H new ATOM 0 H4' DT A 8 14.151 30.254 9.807 1.00 50.97 H new ATOM 0 H3' DT A 8 12.388 32.039 10.042 1.00 48.94 H new ATOM 0 H2' DT A 8 13.733 33.873 9.431 1.00 50.22 H new ATOM 0 H2'' DT A 8 13.875 33.898 10.984 1.00 50.22 H new ATOM 0 HO3' DT A 8 12.967 31.964 12.120 1.00 52.71 H new ATOM 0 H1' DT A 8 15.842 32.871 10.970 1.00 48.10 H new ATOM 0 H3 DT A 8 18.860 35.689 9.640 1.00 44.58 H new ATOM 0 H71 DT A 8 16.227 34.341 5.447 1.00 43.34 H new ATOM 0 H72 DT A 8 15.989 35.880 5.735 1.00 43.34 H new ATOM 0 H73 DT A 8 17.428 35.365 5.321 1.00 43.34 H new ATOM 0 H6 DT A 8 15.521 33.632 7.616 1.00 43.62 H new TER 162 DT A 8 ATOM 163 O5' DA B 101 28.560 45.437 14.207 1.00 94.66 O ATOM 164 C5' DA B 101 28.521 44.006 14.441 1.00 92.91 C ATOM 165 C4' DA B 101 28.265 43.239 13.151 1.00 90.68 C ATOM 166 O4' DA B 101 28.920 43.903 12.043 1.00 91.30 O ATOM 167 C3' DA B 101 28.742 41.783 12.975 1.00 88.18 C ATOM 168 O3' DA B 101 27.860 40.793 13.518 1.00 79.87 O ATOM 169 C2' DA B 101 28.753 41.659 11.462 1.00 89.77 C ATOM 170 C1' DA B 101 28.480 43.085 10.981 1.00 93.39 C ATOM 171 N9 DA B 101 29.146 43.355 9.720 1.00 94.21 N ATOM 172 C8 DA B 101 30.494 43.430 9.504 1.00 94.97 C ATOM 173 N7 DA B 101 30.801 43.649 8.249 1.00 95.60 N ATOM 174 C5 DA B 101 29.571 43.704 7.602 1.00 95.48 C ATOM 175 C6 DA B 101 29.211 43.911 6.258 1.00 95.02 C ATOM 176 N6 DA B 101 30.132 44.106 5.303 1.00 95.24 N ATOM 177 N1 DA B 101 27.887 43.895 5.935 1.00 94.75 N ATOM 178 C2 DA B 101 26.982 43.692 6.901 1.00 94.72 C ATOM 179 N3 DA B 101 27.208 43.491 8.204 1.00 95.40 N ATOM 180 C4 DA B 101 28.532 43.511 8.494 1.00 95.28 C ATOM 0 H5' DA B 101 27.825 43.801 15.085 1.00 92.91 H new ATOM 0 H5'' DA B 101 29.361 43.717 14.830 1.00 92.91 H new ATOM 0 H4' DA B 101 27.296 43.220 13.184 1.00 90.68 H new ATOM 0 H3' DA B 101 29.581 41.626 13.435 1.00 88.18 H new ATOM 0 H2' DA B 101 29.606 41.330 11.137 1.00 89.77 H new ATOM 0 H2'' DA B 101 28.073 41.041 11.150 1.00 89.77 H new ATOM 0 HO5' DA B 101 28.628 45.585 13.383 1.00 94.66 H new ATOM 0 H1' DA B 101 27.544 43.249 10.785 1.00 93.39 H new ATOM 0 H8 DA B 101 31.128 43.335 10.178 1.00 94.97 H new ATOM 0 H61 DA B 101 29.887 44.230 4.488 1.00 95.24 H new ATOM 0 H62 DA B 101 30.968 44.107 5.505 1.00 95.24 H new ATOM 0 H2 DA B 101 26.091 43.691 6.634 1.00 94.72 H new ATOM 181 P DA B 102 28.210 39.198 13.580 1.00 70.68 P ATOM 182 OP1 DA B 102 29.293 38.974 14.571 1.00 73.37 O ATOM 183 OP2 DA B 102 28.442 38.650 12.227 1.00 67.41 O ATOM 184 O5' DA B 102 26.879 38.577 14.207 1.00 65.13 O ATOM 185 C5' DA B 102 26.368 39.123 15.435 1.00 59.08 C ATOM 186 C4' DA B 102 25.130 38.419 15.996 1.00 55.84 C ATOM 187 O4' DA B 102 23.995 38.678 15.130 1.00 50.22 O ATOM 188 C3' DA B 102 25.131 36.901 16.181 1.00 54.02 C ATOM 189 O3' DA B 102 24.180 36.632 17.218 1.00 55.06 O ATOM 190 C2' DA B 102 24.603 36.409 14.847 1.00 52.58 C ATOM 191 C1' DA B 102 23.509 37.458 14.600 1.00 50.81 C ATOM 192 N9 DA B 102 23.202 37.612 13.175 1.00 50.66 N ATOM 193 C8 DA B 102 23.965 38.231 12.229 1.00 50.44 C ATOM 194 N7 DA B 102 23.456 38.219 11.025 1.00 52.27 N ATOM 195 C5 DA B 102 22.273 37.553 11.189 1.00 50.42 C ATOM 196 C6 DA B 102 21.303 37.157 10.251 1.00 49.19 C ATOM 197 N6 DA B 102 21.366 37.462 8.922 1.00 46.17 N ATOM 198 N1 DA B 102 20.264 36.462 10.785 1.00 46.88 N ATOM 199 C2 DA B 102 20.205 36.188 12.075 1.00 48.31 C ATOM 200 N3 DA B 102 21.082 36.474 13.025 1.00 48.08 N ATOM 201 C4 DA B 102 22.104 37.156 12.507 1.00 49.67 C ATOM 0 H5' DA B 102 26.154 40.058 15.292 1.00 59.08 H new ATOM 0 H5'' DA B 102 27.071 39.092 16.103 1.00 59.08 H new ATOM 0 H4' DA B 102 25.101 38.795 16.890 1.00 55.84 H new ATOM 0 H3' DA B 102 25.982 36.497 16.413 1.00 54.02 H new ATOM 0 H2' DA B 102 25.282 36.410 14.155 1.00 52.58 H new ATOM 0 H2'' DA B 102 24.249 35.507 14.896 1.00 52.58 H new ATOM 0 H1' DA B 102 22.683 37.181 15.027 1.00 50.81 H new ATOM 0 H8 DA B 102 24.782 38.630 12.425 1.00 50.44 H new ATOM 0 H61 DA B 102 20.746 37.195 8.390 1.00 46.17 H new ATOM 0 H62 DA B 102 22.026 37.921 8.617 1.00 46.17 H new ATOM 0 H2 DA B 102 19.444 35.732 12.355 1.00 48.31 H new ATOM 202 P DC B 103 24.624 36.137 18.703 1.00 55.31 P ATOM 203 OP1 DC B 103 23.505 36.657 19.524 1.00 52.62 O ATOM 204 OP2 DC B 103 26.034 36.514 18.869 1.00 56.01 O ATOM 205 O5' DC B 103 24.678 34.531 18.675 1.00 52.37 O ATOM 206 C5' DC B 103 23.485 33.754 18.626 1.00 53.38 C ATOM 207 C4' DC B 103 23.774 32.379 18.043 1.00 55.04 C ATOM 208 O4' DC B 103 24.113 32.471 16.633 1.00 55.52 O ATOM 209 C3' DC B 103 24.940 31.596 18.655 1.00 54.59 C ATOM 210 O3' DC B 103 24.606 30.237 18.589 1.00 59.98 O ATOM 211 C2' DC B 103 26.082 31.878 17.694 1.00 53.86 C ATOM 212 C1' DC B 103 25.280 31.745 16.392 1.00 51.38 C ATOM 213 N1 DC B 103 25.866 32.306 15.151 1.00 52.85 N ATOM 214 C2 DC B 103 25.419 31.812 13.911 1.00 50.58 C ATOM 215 O2 DC B 103 24.580 30.888 13.882 1.00 52.77 O ATOM 216 N3 DC B 103 25.938 32.372 12.796 1.00 50.78 N ATOM 217 C4 DC B 103 26.846 33.347 12.876 1.00 49.78 C ATOM 218 N4 DC B 103 27.354 33.859 11.747 1.00 52.40 N ATOM 219 C5 DC B 103 27.281 33.872 14.116 1.00 54.36 C ATOM 220 C6 DC B 103 26.766 33.331 15.211 1.00 54.22 C ATOM 0 H5' DC B 103 22.818 34.207 18.087 1.00 53.38 H new ATOM 0 H5'' DC B 103 23.114 33.663 19.518 1.00 53.38 H new ATOM 0 H4' DC B 103 22.947 31.910 18.236 1.00 55.04 H new ATOM 0 H3' DC B 103 25.151 31.828 19.573 1.00 54.59 H new ATOM 0 H2' DC B 103 26.472 32.758 17.813 1.00 53.86 H new ATOM 0 H2'' DC B 103 26.806 31.236 17.763 1.00 53.86 H new ATOM 0 H1' DC B 103 25.201 30.795 16.215 1.00 51.38 H new ATOM 0 H41 DC B 103 27.940 34.488 11.785 1.00 52.40 H new ATOM 0 H42 DC B 103 27.094 33.559 10.984 1.00 52.40 H new ATOM 0 H5 DC B 103 27.900 34.565 14.161 1.00 54.36 H new ATOM 0 H6 DC B 103 27.025 33.658 16.042 1.00 54.22 H new ATOM 221 P DC B 104 24.981 29.204 19.759 1.00 65.01 P ATOM 222 OP1 DC B 104 24.014 29.618 20.811 1.00 60.59 O ATOM 223 OP2 DC B 104 26.466 29.130 19.887 1.00 63.72 O ATOM 224 O5' DC B 104 24.654 27.739 19.155 1.00 62.31 O ATOM 225 C5' DC B 104 23.316 27.407 18.815 1.00 61.95 C ATOM 226 C4' DC B 104 23.330 26.640 17.516 1.00 59.28 C ATOM 227 O4' DC B 104 23.883 27.466 16.451 1.00 58.12 O ATOM 228 C3' DC B 104 24.182 25.386 17.563 1.00 60.50 C ATOM 229 O3' DC B 104 23.433 24.365 16.977 1.00 62.80 O ATOM 230 C2' DC B 104 25.418 25.736 16.748 1.00 59.29 C ATOM 231 C1' DC B 104 24.850 26.744 15.728 1.00 54.87 C ATOM 232 N1 DC B 104 25.863 27.693 15.235 1.00 53.85 N ATOM 233 C2 DC B 104 26.033 27.828 13.840 1.00 52.03 C ATOM 234 O2 DC B 104 25.280 27.190 13.125 1.00 53.05 O ATOM 235 N3 DC B 104 26.964 28.678 13.377 1.00 50.35 N ATOM 236 C4 DC B 104 27.706 29.392 14.204 1.00 52.29 C ATOM 237 N4 DC B 104 28.611 30.219 13.678 1.00 53.75 N ATOM 238 C5 DC B 104 27.594 29.244 15.621 1.00 52.35 C ATOM 239 C6 DC B 104 26.653 28.412 16.076 1.00 51.14 C ATOM 0 H5' DC B 104 22.781 28.211 18.726 1.00 61.95 H new ATOM 0 H5'' DC B 104 22.912 26.874 19.517 1.00 61.95 H new ATOM 0 H4' DC B 104 22.406 26.393 17.356 1.00 59.28 H new ATOM 0 H3' DC B 104 24.440 25.093 18.451 1.00 60.50 H new ATOM 0 H2' DC B 104 26.116 26.127 17.296 1.00 59.29 H new ATOM 0 H2'' DC B 104 25.801 24.957 16.315 1.00 59.29 H new ATOM 0 H1' DC B 104 24.509 26.277 14.949 1.00 54.87 H new ATOM 0 H41 DC B 104 29.108 30.696 14.193 1.00 53.75 H new ATOM 0 H42 DC B 104 28.697 30.275 12.824 1.00 53.75 H new ATOM 0 H5 DC B 104 28.153 29.708 16.202 1.00 52.35 H new ATOM 0 H6 DC B 104 26.535 28.322 16.994 1.00 51.14 H new ATOM 240 P DG B 105 23.940 22.877 16.921 1.00 62.36 P ATOM 241 OP1 DG B 105 22.783 22.127 17.473 1.00 60.60 O ATOM 242 OP2 DG B 105 25.334 22.737 17.392 1.00 63.65 O ATOM 243 O5' DG B 105 23.941 22.522 15.370 1.00 57.47 O ATOM 244 C5' DG B 105 22.783 22.789 14.593 1.00 53.39 C ATOM 245 C4' DG B 105 23.041 22.330 13.174 1.00 52.49 C ATOM 246 O4' DG B 105 24.038 23.218 12.599 1.00 49.05 O ATOM 247 C3' DG B 105 23.617 20.930 13.016 1.00 52.05 C ATOM 248 O3' DG B 105 23.148 20.379 11.786 1.00 52.85 O ATOM 249 C2' DG B 105 25.131 21.165 12.984 1.00 51.67 C ATOM 250 C1' DG B 105 25.253 22.523 12.301 1.00 49.79 C ATOM 251 N9 DG B 105 26.317 23.434 12.785 1.00 46.62 N ATOM 252 C8 DG B 105 26.646 23.700 14.098 1.00 47.84 C ATOM 253 N7 DG B 105 27.581 24.619 14.237 1.00 48.54 N ATOM 254 C5 DG B 105 27.862 24.968 12.922 1.00 46.95 C ATOM 255 C6 DG B 105 28.798 25.915 12.442 1.00 46.32 C ATOM 256 O6 DG B 105 29.577 26.640 13.087 1.00 48.53 O ATOM 257 N1 DG B 105 28.755 25.948 11.079 1.00 47.63 N ATOM 258 C2 DG B 105 27.910 25.223 10.260 1.00 47.26 C ATOM 259 N2 DG B 105 28.035 25.474 8.964 1.00 48.32 N ATOM 260 N3 DG B 105 27.020 24.346 10.663 1.00 47.42 N ATOM 261 C4 DG B 105 27.067 24.273 12.027 1.00 45.06 C ATOM 0 H5' DG B 105 22.578 23.737 14.609 1.00 53.39 H new ATOM 0 H5'' DG B 105 22.015 22.326 14.963 1.00 53.39 H new ATOM 0 H4' DG B 105 22.170 22.336 12.747 1.00 52.49 H new ATOM 0 H3' DG B 105 23.364 20.311 13.718 1.00 52.05 H new ATOM 0 H2' DG B 105 25.512 21.176 13.876 1.00 51.67 H new ATOM 0 H2'' DG B 105 25.592 20.471 12.488 1.00 51.67 H new ATOM 0 H1' DG B 105 25.452 22.325 11.373 1.00 49.79 H new ATOM 0 H8 DG B 105 26.245 23.271 14.819 1.00 47.84 H new ATOM 0 H1 DG B 105 29.312 26.475 10.689 1.00 47.63 H new ATOM 0 H21 DG B 105 27.541 25.059 8.396 1.00 48.32 H new ATOM 0 H22 DG B 105 28.611 26.052 8.692 1.00 48.32 H new ATOM 262 P DG B 106 23.544 18.908 11.290 1.00 54.72 P ATOM 263 OP1 DG B 106 22.453 18.540 10.378 1.00 58.87 O ATOM 264 OP2 DG B 106 23.944 18.072 12.426 1.00 53.51 O ATOM 265 O5' DG B 106 24.860 19.052 10.390 1.00 54.50 O ATOM 266 C5' DG B 106 24.834 19.895 9.269 1.00 52.61 C ATOM 267 C4' DG B 106 26.233 19.886 8.721 1.00 53.86 C ATOM 268 O4' DG B 106 27.093 20.637 9.608 1.00 52.83 O ATOM 269 C3' DG B 106 26.894 18.501 8.627 1.00 53.36 C ATOM 270 O3' DG B 106 27.640 18.442 7.472 1.00 53.98 O ATOM 271 C2' DG B 106 27.854 18.457 9.830 1.00 52.33 C ATOM 272 C1' DG B 106 28.319 19.905 9.856 1.00 50.22 C ATOM 273 N9 DG B 106 28.797 20.549 11.098 1.00 48.98 N ATOM 274 C8 DG B 106 28.473 20.253 12.395 1.00 47.77 C ATOM 275 N7 DG B 106 29.002 21.093 13.249 1.00 46.08 N ATOM 276 C5 DG B 106 29.732 21.956 12.451 1.00 45.24 C ATOM 277 C6 DG B 106 30.540 23.043 12.794 1.00 47.24 C ATOM 278 O6 DG B 106 30.800 23.499 13.888 1.00 49.41 O ATOM 279 N1 DG B 106 31.096 23.638 11.691 1.00 49.38 N ATOM 280 C2 DG B 106 30.903 23.275 10.389 1.00 47.79 C ATOM 281 N2 DG B 106 31.577 23.997 9.466 1.00 49.27 N ATOM 282 N3 DG B 106 30.176 22.245 10.038 1.00 48.53 N ATOM 283 C4 DG B 106 29.623 21.646 11.130 1.00 46.75 C ATOM 0 H5' DG B 106 24.562 20.793 9.515 1.00 52.61 H new ATOM 0 H5'' DG B 106 24.199 19.577 8.608 1.00 52.61 H new ATOM 0 H4' DG B 106 26.142 20.252 7.827 1.00 53.86 H new ATOM 0 H3' DG B 106 26.250 17.775 8.624 1.00 53.36 H new ATOM 0 H2' DG B 106 27.407 18.197 10.651 1.00 52.33 H new ATOM 0 H2'' DG B 106 28.587 17.835 9.696 1.00 52.33 H new ATOM 0 H1' DG B 106 29.081 19.915 9.256 1.00 50.22 H new ATOM 0 H8 DG B 106 27.936 19.535 12.642 1.00 47.77 H new ATOM 0 H1 DG B 106 31.618 24.306 11.833 1.00 49.38 H new ATOM 0 H21 DG B 106 31.493 23.812 8.630 1.00 49.27 H new ATOM 0 H22 DG B 106 32.090 24.641 9.715 1.00 49.27 H new ATOM 284 P DT B 107 27.476 17.276 6.378 1.00 58.14 P ATOM 285 OP1 DT B 107 27.865 17.930 5.112 1.00 56.76 O ATOM 286 OP2 DT B 107 26.100 16.698 6.532 1.00 55.52 O ATOM 287 O5' DT B 107 28.566 16.186 6.823 1.00 58.32 O ATOM 288 C5' DT B 107 29.955 16.396 6.493 1.00 59.13 C ATOM 289 C4' DT B 107 30.814 15.216 6.880 1.00 58.16 C ATOM 290 O4' DT B 107 30.452 14.809 8.221 1.00 59.02 O ATOM 291 C3' DT B 107 30.618 13.943 6.094 1.00 58.42 C ATOM 292 O3' DT B 107 31.798 13.131 6.295 1.00 57.85 O ATOM 293 C2' DT B 107 29.372 13.356 6.744 1.00 58.06 C ATOM 294 C1' DT B 107 29.771 13.576 8.205 1.00 60.19 C ATOM 295 N1 DT B 107 28.699 13.620 9.264 1.00 60.43 N ATOM 296 C2 DT B 107 28.969 12.993 10.468 1.00 64.19 C ATOM 297 O2 DT B 107 30.027 12.406 10.742 1.00 63.43 O ATOM 298 N3 DT B 107 27.940 13.075 11.382 1.00 65.79 N ATOM 299 C4 DT B 107 26.711 13.692 11.240 1.00 61.34 C ATOM 300 O4 DT B 107 25.912 13.666 12.163 1.00 60.97 O ATOM 301 C5 DT B 107 26.500 14.342 9.971 1.00 62.30 C ATOM 302 C7 DT B 107 25.200 15.067 9.676 1.00 61.82 C ATOM 303 C6 DT B 107 27.494 14.267 9.057 1.00 60.41 C ATOM 0 H5' DT B 107 30.277 17.191 6.945 1.00 59.13 H new ATOM 0 H5'' DT B 107 30.039 16.558 5.540 1.00 59.13 H new ATOM 0 H4' DT B 107 31.716 15.543 6.738 1.00 58.16 H new ATOM 0 H3' DT B 107 30.505 14.034 5.135 1.00 58.42 H new ATOM 0 H2' DT B 107 28.560 13.826 6.498 1.00 58.06 H new ATOM 0 H2'' DT B 107 29.236 12.421 6.525 1.00 58.06 H new ATOM 0 H1' DT B 107 30.277 12.787 8.455 1.00 60.19 H new ATOM 0 H3 DT B 107 28.081 12.692 12.139 1.00 65.79 H new ATOM 0 H71 DT B 107 24.476 14.645 10.165 1.00 61.82 H new ATOM 0 H72 DT B 107 25.277 15.994 9.950 1.00 61.82 H new ATOM 0 H73 DT B 107 25.015 15.026 8.725 1.00 61.82 H new ATOM 0 H6 DT B 107 27.358 14.678 8.234 1.00 60.41 H new ATOM 304 P DT B 108 32.819 13.012 5.062 1.00 60.77 P ATOM 305 OP1 DT B 108 31.973 12.998 3.828 1.00 61.76 O ATOM 306 OP2 DT B 108 33.781 11.942 5.336 1.00 57.62 O ATOM 307 O5' DT B 108 33.514 14.452 5.108 1.00 59.02 O ATOM 308 C5' DT B 108 33.556 15.350 4.050 1.00 56.45 C ATOM 309 C4' DT B 108 34.388 16.540 4.502 1.00 55.56 C ATOM 310 O4' DT B 108 34.094 16.813 5.903 1.00 56.04 O ATOM 311 C3' DT B 108 35.890 16.318 4.417 1.00 55.12 C ATOM 312 O3' DT B 108 36.524 17.383 3.724 1.00 56.00 O ATOM 313 C2' DT B 108 36.329 16.226 5.878 1.00 54.13 C ATOM 314 C1' DT B 108 35.276 17.048 6.621 1.00 51.98 C ATOM 315 N1 DT B 108 34.972 16.725 8.073 1.00 52.19 N ATOM 316 C2 DT B 108 35.473 17.555 9.042 1.00 50.52 C ATOM 317 O2 DT B 108 36.159 18.539 8.804 1.00 52.15 O ATOM 318 N3 DT B 108 35.145 17.215 10.316 1.00 48.80 N ATOM 319 C4 DT B 108 34.381 16.147 10.735 1.00 49.80 C ATOM 320 O4 DT B 108 34.192 15.941 11.931 1.00 51.02 O ATOM 321 C5 DT B 108 33.917 15.286 9.681 1.00 52.75 C ATOM 322 C7 DT B 108 33.132 14.071 10.051 1.00 51.94 C ATOM 323 C6 DT B 108 34.234 15.602 8.415 1.00 52.77 C ATOM 0 H5' DT B 108 32.661 15.632 3.804 1.00 56.45 H new ATOM 0 H5'' DT B 108 33.948 14.936 3.265 1.00 56.45 H new ATOM 0 H4' DT B 108 34.154 17.268 3.905 1.00 55.56 H new ATOM 0 H3' DT B 108 36.132 15.522 3.918 1.00 55.12 H new ATOM 0 H2' DT B 108 36.348 15.307 6.188 1.00 54.13 H new ATOM 0 H2'' DT B 108 37.220 16.587 6.006 1.00 54.13 H new ATOM 0 HO3' DT B 108 37.351 17.242 3.690 1.00 56.00 H new ATOM 0 H1' DT B 108 35.625 17.952 6.662 1.00 51.98 H new ATOM 0 H3 DT B 108 35.451 17.728 10.935 1.00 48.80 H new ATOM 0 H71 DT B 108 33.414 13.757 10.924 1.00 51.94 H new ATOM 0 H72 DT B 108 32.188 14.291 10.077 1.00 51.94 H new ATOM 0 H73 DT B 108 33.283 13.375 9.393 1.00 51.94 H new ATOM 0 H6 DT B 108 33.944 15.040 7.733 1.00 52.77 H new TER 324 DT B 108 HETATM 325 O44 GGT A 9 29.845 39.877 7.716 1.00 65.26 O HETATM 326 C48 GGT A 9 28.911 39.443 7.040 1.00 62.33 C HETATM 327 C47 GGT A 9 29.097 39.242 5.551 1.00 63.59 C HETATM 328 C44 GGT A 9 27.568 39.090 7.753 1.00 58.33 C HETATM 329 O43 GGT A 9 27.104 40.167 8.548 1.00 63.01 O HETATM 330 C43 GGT A 9 27.853 37.897 8.706 1.00 55.57 C HETATM 331 O42 GGT A 9 28.552 36.864 8.011 1.00 54.47 O HETATM 332 C42 GGT A 9 26.589 37.322 9.367 1.00 51.30 C HETATM 333 C45 GGT A 9 26.387 38.762 6.832 1.00 58.15 C HETATM 334 C46 GGT A 9 25.872 39.879 5.867 1.00 56.70 C HETATM 335 O41 GGT A 9 25.262 38.397 7.712 1.00 53.83 O HETATM 336 C41 GGT A 9 25.472 37.141 8.363 1.00 51.78 C HETATM 337 O11 GGT A 9 25.878 36.126 7.451 1.00 48.65 O HETATM 338 C13 GGT A 9 24.906 35.329 6.872 1.00 47.53 C HETATM 339 C14 GGT A 9 25.731 34.371 5.886 1.00 47.31 C HETATM 340 C17 GGT A 9 25.852 32.898 6.226 1.00 46.01 C HETATM 341 O12 GGT A 9 27.063 34.839 5.723 1.00 47.11 O HETATM 342 C15 GGT A 9 25.015 34.710 4.587 1.00 45.89 C HETATM 343 O8 GGT A 9 24.830 36.133 4.707 1.00 47.58 O HETATM 344 C12 GGT A 9 23.994 36.037 5.884 1.00 44.29 C HETATM 345 C16 GGT A 9 25.729 34.399 3.293 1.00 45.14 C HETATM 346 O9 GGT A 9 25.356 35.303 2.260 1.00 47.85 O HETATM 347 C33 GGT A 9 23.967 35.252 1.789 1.00 51.50 C HETATM 348 O10 GGT A 9 25.443 33.101 2.958 1.00 45.55 O HETATM 349 C32 GGT A 9 26.440 32.469 2.096 1.00 45.65 C HETATM 350 O7 GGT A 9 23.704 34.117 4.591 1.00 44.71 O HETATM 351 C11 GGT A 9 22.945 35.012 5.415 1.00 45.72 C HETATM 352 C7 GGT A 9 22.286 34.359 6.584 1.00 43.85 C HETATM 353 C6 GGT A 9 20.998 33.816 6.364 1.00 44.68 C HETATM 354 C31 GGT A 9 20.416 33.775 4.940 1.00 43.51 C HETATM 355 O6 GGT A 9 24.181 34.804 7.987 1.00 45.95 O HETATM 356 C8 GGT A 9 22.889 34.360 7.824 1.00 46.05 C HETATM 357 C25 GGT A 9 22.231 33.785 8.928 1.00 42.25 C HETATM 358 C26 GGT A 9 20.966 33.226 8.710 1.00 43.33 C HETATM 359 C5 GGT A 9 20.376 33.235 7.428 1.00 44.15 C HETATM 360 C10 GGT A 9 20.272 32.660 9.804 1.00 44.74 C HETATM 361 O4 GGT A 9 19.065 32.077 9.635 1.00 45.88 O HETATM 362 C30 GGT A 9 19.002 30.673 9.304 1.00 46.44 C HETATM 363 C28 GGT A 9 20.799 32.703 11.027 1.00 43.93 C HETATM 364 C27 GGT A 9 22.066 33.299 11.261 1.00 43.15 C HETATM 365 C9 GGT A 9 22.770 33.869 10.241 1.00 44.56 C HETATM 366 O5 GGT A 9 23.964 34.479 10.469 1.00 44.89 O HETATM 367 C4 GGT A 9 19.972 32.061 12.175 1.00 46.65 C HETATM 368 C3 GGT A 9 20.348 32.718 13.486 1.00 46.90 C HETATM 369 C2 GGT A 9 21.817 32.669 13.732 1.00 47.15 C HETATM 370 O2 GGT A 9 22.007 33.290 14.984 1.00 54.54 O HETATM 371 C1 GGT A 9 22.575 33.338 12.615 1.00 45.84 C HETATM 372 O3 GGT A 9 23.563 34.039 12.866 1.00 47.82 O HETATM 373 O1 GGT A 9 20.192 30.649 12.251 1.00 48.90 O HETATM 374 C1' GGT A 9 19.280 30.019 13.168 1.00 52.89 C HETATM 375 O1' GGT A 9 19.810 30.048 14.490 1.00 51.70 O HETATM 376 C5' GGT A 9 20.929 29.187 14.796 1.00 53.21 C HETATM 377 C9' GGT A 9 21.283 29.386 16.267 1.00 53.48 C HETATM 378 C4' GGT A 9 20.619 27.746 14.445 1.00 51.24 C HETATM 379 C3' GGT A 9 20.166 27.618 13.002 1.00 54.19 C HETATM 380 O2' GGT A 9 21.359 27.927 12.218 1.00 54.85 O HETATM 381 C8' GGT A 9 19.780 26.170 12.727 1.00 55.12 C HETATM 382 C2' GGT A 9 18.993 28.577 12.785 1.00 52.83 C HETATM 383 O3' GGT A 9 19.514 27.363 15.270 1.00 50.12 O HETATM 384 C6' GGT A 9 19.623 26.207 16.032 1.00 48.87 C HETATM 385 O4' GGT A 9 20.560 25.446 15.989 1.00 50.66 O HETATM 386 C7' GGT A 9 18.401 26.024 16.843 1.00 50.04 C HETATM 0 HO43 GGT A 9 26.318 40.011 8.801 1.00 63.01 H new HETATM 0 HO42 GGT A 9 27.999 36.347 7.647 1.00 54.47 H new HETATM 0 HO2' GGT A 9 21.178 27.873 11.399 1.00 54.85 H new HETATM 0 H9'B GGT A 9 21.521 30.314 16.420 1.00 53.48 H new HETATM 0 H9'A GGT A 9 20.519 29.153 16.818 1.00 53.48 H new HETATM 0 H8'B GGT A 9 20.547 25.596 12.880 1.00 55.12 H new HETATM 0 H8'A GGT A 9 19.058 25.909 13.320 1.00 55.12 H new HETATM 0 H7'B GGT A 9 18.286 26.786 17.432 1.00 50.04 H new HETATM 0 H7'A GGT A 9 17.632 25.950 16.257 1.00 50.04 H new HETATM 0 H47B GGT A 9 29.318 40.090 5.135 1.00 63.59 H new HETATM 0 H47A GGT A 9 29.816 38.610 5.397 1.00 63.59 H new HETATM 0 H46B GGT A 9 25.580 40.645 6.385 1.00 56.70 H new HETATM 0 H46A GGT A 9 26.588 40.147 5.270 1.00 56.70 H new HETATM 0 H42A GGT A 9 26.797 36.469 9.778 1.00 51.30 H new HETATM 0 H33B GGT A 9 23.776 34.368 1.439 1.00 51.50 H new HETATM 0 H33A GGT A 9 23.368 35.443 2.527 1.00 51.50 H new HETATM 0 H32B GGT A 9 26.513 32.967 1.266 1.00 45.65 H new HETATM 0 H32A GGT A 9 27.300 32.463 2.545 1.00 45.65 H new HETATM 0 H31B GGT A 9 20.354 34.677 4.590 1.00 43.51 H new HETATM 0 H31A GGT A 9 20.995 33.246 4.369 1.00 43.51 H new HETATM 0 H30B GGT A 9 19.465 30.517 8.466 1.00 46.44 H new HETATM 0 H30A GGT A 9 19.424 30.155 10.007 1.00 46.44 H new HETATM 0 H2'A GGT A 9 18.233 28.263 13.300 1.00 52.83 H new HETATM 0 HO2 GGT A 9 22.678 32.956 15.364 1.00 54.54 H new HETATM 0 H9' GGT A 9 22.034 28.817 16.499 1.00 53.48 H new HETATM 0 H8' GGT A 9 19.489 26.082 11.806 1.00 55.12 H new HETATM 0 H7' GGT A 9 18.482 25.216 17.373 1.00 50.04 H new HETATM 0 H5' GGT A 9 21.702 29.419 14.258 1.00 53.21 H new HETATM 0 H5 GGT A 9 19.509 32.819 7.302 1.00 44.15 H new HETATM 0 H47 GGT A 9 28.276 38.898 5.166 1.00 63.59 H new HETATM 0 H46 GGT A 9 25.128 39.539 5.346 1.00 56.70 H new HETATM 0 H45 GGT A 9 26.716 38.068 6.240 1.00 58.15 H new HETATM 0 H43 GGT A 9 28.404 38.249 9.422 1.00 55.57 H new HETATM 0 H42 GGT A 9 26.295 37.915 10.076 1.00 51.30 H new HETATM 0 H41 GGT A 9 24.637 36.870 8.775 1.00 51.78 H new HETATM 0 H4' GGT A 9 21.409 27.199 14.575 1.00 51.24 H new HETATM 0 H4 GGT A 9 19.030 32.202 11.993 1.00 46.65 H new HETATM 0 H3A GGT A 9 20.052 33.642 13.481 1.00 46.90 H new HETATM 0 H33 GGT A 9 23.838 35.911 1.089 1.00 51.50 H new HETATM 0 H32 GGT A 9 26.170 31.557 1.903 1.00 45.65 H new HETATM 0 H31 GGT A 9 19.532 33.376 4.963 1.00 43.51 H new HETATM 0 H30 GGT A 9 18.075 30.402 9.216 1.00 46.44 H new HETATM 0 H3 GGT A 9 19.884 32.276 14.214 1.00 46.90 H new HETATM 0 H2' GGT A 9 18.734 28.548 11.851 1.00 52.83 H new HETATM 0 H2 GGT A 9 22.161 31.762 13.751 1.00 47.15 H new HETATM 0 H16 GGT A 9 26.686 34.506 3.408 1.00 45.14 H new HETATM 0 H12 GGT A 9 23.613 36.854 6.243 1.00 44.29 H new HETATM 0 H11 GGT A 9 22.203 35.394 4.920 1.00 45.72 H new HETATM 0 H1' GGT A 9 18.449 30.518 13.129 1.00 52.89 H new HETATM 387 O44 GGT B 109 33.290 19.846 21.586 1.00 60.67 O HETATM 388 C48 GGT B 109 32.833 19.361 20.539 1.00 52.30 C HETATM 389 C47 GGT B 109 31.615 18.491 20.497 1.00 47.22 C HETATM 390 C44 GGT B 109 33.523 19.663 19.218 1.00 47.24 C HETATM 391 O43 GGT B 109 34.960 19.577 19.424 1.00 47.63 O HETATM 392 C43 GGT B 109 33.098 21.069 18.816 1.00 46.71 C HETATM 393 O42 GGT B 109 31.692 21.250 18.849 1.00 48.13 O HETATM 394 C42 GGT B 109 33.465 21.415 17.420 1.00 44.53 C HETATM 395 C45 GGT B 109 33.057 18.664 18.140 1.00 45.12 C HETATM 396 C46 GGT B 109 33.544 17.240 18.254 1.00 46.71 C HETATM 397 O41 GGT B 109 33.636 19.066 16.862 1.00 48.79 O HETATM 398 C41 GGT B 109 33.154 20.339 16.385 1.00 44.11 C HETATM 399 O11 GGT B 109 31.722 20.397 16.266 1.00 46.67 O HETATM 400 C13 GGT B 109 31.058 19.726 15.279 1.00 48.22 C HETATM 401 C14 GGT B 109 29.530 20.053 15.615 1.00 47.06 C HETATM 402 C17 GGT B 109 28.787 20.964 14.651 1.00 45.98 C HETATM 403 O12 GGT B 109 29.353 20.640 16.920 1.00 46.21 O HETATM 404 C15 GGT B 109 29.040 18.611 15.665 1.00 47.99 C HETATM 405 O8 GGT B 109 30.092 17.934 16.358 1.00 49.12 O HETATM 406 C12 GGT B 109 31.048 18.201 15.327 1.00 48.83 C HETATM 407 C16 GGT B 109 27.710 18.383 16.344 1.00 51.20 C HETATM 408 O9 GGT B 109 27.496 17.021 16.477 1.00 55.52 O HETATM 409 C33 GGT B 109 27.550 16.619 17.853 1.00 58.97 C HETATM 410 O10 GGT B 109 26.698 18.884 15.533 1.00 53.35 O HETATM 411 C32 GGT B 109 25.562 19.374 16.268 1.00 47.67 C HETATM 412 O7 GGT B 109 29.012 18.072 14.332 1.00 47.26 O HETATM 413 C11 GGT B 109 30.382 17.719 14.051 1.00 48.61 C HETATM 414 C7 GGT B 109 31.040 18.269 12.805 1.00 47.91 C HETATM 415 C6 GGT B 109 31.007 17.553 11.564 1.00 49.60 C HETATM 416 C31 GGT B 109 30.204 16.258 11.443 1.00 48.53 C HETATM 417 O6 GGT B 109 31.704 20.157 14.096 1.00 48.78 O HETATM 418 C8 GGT B 109 31.744 19.456 12.906 1.00 49.72 C HETATM 419 C25 GGT B 109 32.441 19.999 11.787 1.00 47.49 C HETATM 420 C26 GGT B 109 32.376 19.321 10.574 1.00 47.69 C HETATM 421 C5 GGT B 109 31.669 18.072 10.467 1.00 47.72 C HETATM 422 C10 GGT B 109 33.082 19.867 9.461 1.00 48.69 C HETATM 423 O4 GGT B 109 33.082 19.229 8.236 1.00 50.23 O HETATM 424 C30 GGT B 109 32.046 19.659 7.340 1.00 56.59 C HETATM 425 C28 GGT B 109 33.820 21.012 9.564 1.00 48.02 C HETATM 426 C27 GGT B 109 33.893 21.713 10.776 1.00 47.49 C HETATM 427 C9 GGT B 109 33.234 21.196 11.885 1.00 47.50 C HETATM 428 O5 GGT B 109 33.282 21.843 13.068 1.00 47.07 O HETATM 429 C4 GGT B 109 34.539 21.493 8.312 1.00 48.97 C HETATM 430 C3 GGT B 109 35.750 22.370 8.669 1.00 49.68 C HETATM 431 C2 GGT B 109 35.373 23.488 9.606 1.00 48.77 C HETATM 432 O2 GGT B 109 36.552 24.224 9.967 1.00 49.44 O HETATM 433 C1 GGT B 109 34.709 22.925 10.851 1.00 48.22 C HETATM 434 O3 GGT B 109 34.949 23.415 11.984 1.00 48.20 O HETATM 435 O1 GGT B 109 33.602 22.243 7.529 1.00 55.26 O HETATM 436 C1' GGT B 109 34.096 22.483 6.189 1.00 53.84 C HETATM 437 O1' GGT B 109 34.778 23.735 6.102 1.00 54.75 O HETATM 438 C5' GGT B 109 33.966 24.894 6.339 1.00 55.23 C HETATM 439 C9' GGT B 109 34.887 26.124 6.327 1.00 55.49 C HETATM 440 C4' GGT B 109 32.980 24.914 5.192 1.00 55.97 C HETATM 441 C3' GGT B 109 32.113 23.647 5.152 1.00 56.61 C HETATM 442 O2' GGT B 109 31.339 23.847 6.355 1.00 55.61 O HETATM 443 C8' GGT B 109 31.231 23.577 3.897 1.00 57.88 C HETATM 444 C2' GGT B 109 32.978 22.408 5.185 1.00 52.61 C HETATM 445 O3' GGT B 109 33.887 24.926 4.046 1.00 57.19 O HETATM 446 C6' GGT B 109 33.562 25.701 2.977 1.00 57.27 C HETATM 447 O4' GGT B 109 32.773 26.598 3.070 1.00 53.46 O HETATM 448 C7' GGT B 109 34.344 25.269 1.785 1.00 58.23 C HETATM 0 HO43 GGT B 109 35.136 19.720 20.233 1.00 47.63 H new HETATM 0 HO42 GGT B 109 31.361 21.006 18.117 1.00 48.13 H new HETATM 0 HO2' GGT B 109 30.806 23.205 6.455 1.00 55.61 H new HETATM 0 H9'B GGT B 109 35.556 26.034 7.023 1.00 55.49 H new HETATM 0 H9'A GGT B 109 35.326 26.192 5.465 1.00 55.49 H new HETATM 0 H8'B GGT B 109 30.639 24.345 3.874 1.00 57.88 H new HETATM 0 H8'A GGT B 109 31.793 23.579 3.106 1.00 57.88 H new HETATM 0 H7'B GGT B 109 35.292 25.359 1.970 1.00 58.23 H new HETATM 0 H7'A GGT B 109 34.141 24.342 1.583 1.00 58.23 H new HETATM 0 H47B GGT B 109 31.763 17.701 21.040 1.00 47.22 H new HETATM 0 H47A GGT B 109 30.854 18.983 20.843 1.00 47.22 H new HETATM 0 H46B GGT B 109 34.513 17.225 18.216 1.00 46.71 H new HETATM 0 H46A GGT B 109 33.249 16.863 19.098 1.00 46.71 H new HETATM 0 H42A GGT B 109 33.000 22.229 17.170 1.00 44.53 H new HETATM 0 H33B GGT B 109 28.423 16.832 18.218 1.00 58.97 H new HETATM 0 H33A GGT B 109 26.866 17.090 18.355 1.00 58.97 H new HETATM 0 H32B GGT B 109 25.182 18.653 16.794 1.00 47.67 H new HETATM 0 H32A GGT B 109 25.843 20.091 16.858 1.00 47.67 H new HETATM 0 H31B GGT B 109 30.542 15.607 12.077 1.00 48.53 H new HETATM 0 H31A GGT B 109 29.270 16.438 11.632 1.00 48.53 H new HETATM 0 H30B GGT B 109 31.180 19.494 7.744 1.00 56.59 H new HETATM 0 H30A GGT B 109 32.144 20.608 7.163 1.00 56.59 H new HETATM 0 H2'A GGT B 109 33.354 22.261 4.303 1.00 52.61 H new HETATM 0 HO2 GGT B 109 36.384 25.047 9.953 1.00 49.44 H new HETATM 0 H9' GGT B 109 34.361 26.924 6.485 1.00 55.49 H new HETATM 0 H8' GGT B 109 30.704 22.763 3.917 1.00 57.88 H new HETATM 0 H7' GGT B 109 34.109 25.824 1.025 1.00 58.23 H new HETATM 0 H5' GGT B 109 33.498 24.889 7.188 1.00 55.23 H new HETATM 0 H5 GGT B 109 31.657 17.593 9.623 1.00 47.72 H new HETATM 0 H47 GGT B 109 31.438 18.225 19.581 1.00 47.22 H new HETATM 0 H46 GGT B 109 33.184 16.715 17.522 1.00 46.71 H new HETATM 0 H45 GGT B 109 32.092 18.683 18.235 1.00 45.12 H new HETATM 0 H43 GGT B 109 33.559 21.626 19.463 1.00 46.71 H new HETATM 0 H42 GGT B 109 34.415 21.610 17.389 1.00 44.53 H new HETATM 0 H41 GGT B 109 33.580 20.466 15.523 1.00 44.11 H new HETATM 0 H4' GGT B 109 32.351 25.651 5.238 1.00 55.97 H new HETATM 0 H4 GGT B 109 34.871 20.730 7.813 1.00 48.97 H new HETATM 0 H3A GGT B 109 36.437 21.822 9.079 1.00 49.68 H new HETATM 0 H33 GGT B 109 27.397 15.663 17.917 1.00 58.97 H new HETATM 0 H32 GGT B 109 24.895 19.708 15.648 1.00 47.67 H new HETATM 0 H31 GGT B 109 30.290 15.907 10.543 1.00 48.53 H new HETATM 0 H30 GGT B 109 32.113 19.167 6.507 1.00 56.59 H new HETATM 0 H3 GGT B 109 36.131 22.742 7.858 1.00 49.68 H new HETATM 0 H2' GGT B 109 32.422 21.639 5.388 1.00 52.61 H new HETATM 0 H2 GGT B 109 34.746 24.081 9.162 1.00 48.77 H new HETATM 0 H16 GGT B 109 27.712 18.819 17.210 1.00 51.20 H new HETATM 0 H12 GGT B 109 31.926 17.806 15.448 1.00 48.83 H new HETATM 0 H11 GGT B 109 30.459 16.776 13.835 1.00 48.61 H new HETATM 0 H1' GGT B 109 34.737 21.785 5.981 1.00 53.84 H new HETATM 449 O HOH A 201 23.077 31.655 2.967 1.00 50.36 O HETATM 450 O HOH A 202 25.230 40.270 9.795 1.00 63.83 O HETATM 451 O HOH A 203 21.839 41.781 8.374 1.00 59.89 O HETATM 452 O HOH A 205 23.187 39.151 3.093 1.00 71.36 O HETATM 453 O HOH A 206 23.164 26.090 8.883 1.00 67.81 O HETATM 454 O HOH A 207 25.230 26.033 6.905 1.00 57.32 O HETATM 455 O HOH A 208 21.107 27.973 9.445 1.00 54.59 O HETATM 456 O HOH A 212 21.708 38.215 5.167 1.00 53.58 O HETATM 457 O HOH A 213 18.771 38.188 5.376 1.00 49.40 O HETATM 458 O HOH A 214 13.385 34.556 3.095 1.00 56.51 O HETATM 459 O HOH A 215 22.950 39.375 7.436 1.00 58.88 O HETATM 460 O HOH A 216 16.973 27.673 1.988 1.00 68.19 O HETATM 461 O HOH A 218 36.601 28.911 16.860 1.00 66.57 O HETATM 462 O HOH A 219 32.889 28.948 16.544 1.00 93.34 O HETATM 463 O HOH A 220 33.106 30.315 13.671 1.00 78.89 O HETATM 464 O HOH B 204 25.309 23.166 8.639 1.00 71.74 O HETATM 465 O HOH B 209 29.776 26.025 15.734 1.00 68.00 O HETATM 466 O HOH B 210 29.569 21.976 7.200 1.00 70.91 O HETATM 467 O HOH B 211 39.266 23.289 9.822 1.00 73.52 O HETATM 468 O HOH B 217 23.229 26.061 12.656 1.00 63.74 O HETATM 469 O HOH B 221 30.329 32.070 15.350 1.00 77.14 O CONECT 113 340 CONECT 275 402 CONECT 325 326 CONECT 326 325 327 328 CONECT 327 326 CONECT 328 326 329 330 333 CONECT 329 328 CONECT 330 328 331 332 CONECT 331 330 CONECT 332 330 336 CONECT 333 328 334 335 CONECT 334 333 CONECT 335 333 336 CONECT 336 332 335 337 CONECT 337 336 338 CONECT 338 337 339 344 355 CONECT 339 338 340 341 342 CONECT 340 113 339 341 CONECT 341 339 340 CONECT 342 339 343 345 350 CONECT 343 342 344 CONECT 344 338 343 351 CONECT 345 342 346 348 CONECT 346 345 347 CONECT 347 346 CONECT 348 345 349 CONECT 349 348 CONECT 350 342 351 CONECT 351 344 350 352 CONECT 352 351 353 356 CONECT 353 352 354 359 CONECT 354 353 CONECT 355 338 356 CONECT 356 352 355 357 CONECT 357 356 358 365 CONECT 358 357 359 360 CONECT 359 353 358 CONECT 360 358 361 363 CONECT 361 360 362 CONECT 362 361 CONECT 363 360 364 367 CONECT 364 363 365 371 CONECT 365 357 364 366 CONECT 366 365 CONECT 367 363 368 373 CONECT 368 367 369 CONECT 369 368 370 371 CONECT 370 369 CONECT 371 364 369 372 CONECT 372 371 CONECT 373 367 374 CONECT 374 373 375 382 CONECT 375 374 376 CONECT 376 375 377 378 CONECT 377 376 CONECT 378 376 379 383 CONECT 379 378 380 381 382 CONECT 380 379 CONECT 381 379 CONECT 382 374 379 CONECT 383 378 384 CONECT 384 383 385 386 CONECT 385 384 CONECT 386 384 CONECT 387 388 CONECT 388 387 389 390 CONECT 389 388 CONECT 390 388 391 392 395 CONECT 391 390 CONECT 392 390 393 394 CONECT 393 392 CONECT 394 392 398 CONECT 395 390 396 397 CONECT 396 395 CONECT 397 395 398 CONECT 398 394 397 399 CONECT 399 398 400 CONECT 400 399 401 406 417 CONECT 401 400 402 403 404 CONECT 402 275 401 403 CONECT 403 401 402 CONECT 404 401 405 407 412 CONECT 405 404 406 CONECT 406 400 405 413 CONECT 407 404 408 410 CONECT 408 407 409 CONECT 409 408 CONECT 410 407 411 CONECT 411 410 CONECT 412 404 413 CONECT 413 406 412 414 CONECT 414 413 415 418 CONECT 415 414 416 421 CONECT 416 415 CONECT 417 400 418 CONECT 418 414 417 419 CONECT 419 418 420 427 CONECT 420 419 421 422 CONECT 421 415 420 CONECT 422 420 423 425 CONECT 423 422 424 CONECT 424 423 CONECT 425 422 426 429 CONECT 426 425 427 433 CONECT 427 419 426 428 CONECT 428 427 CONECT 429 425 430 435 CONECT 430 429 431 CONECT 431 430 432 433 CONECT 432 431 CONECT 433 426 431 434 CONECT 434 433 CONECT 435 429 436 CONECT 436 435 437 444 CONECT 437 436 438 CONECT 438 437 439 440 CONECT 439 438 CONECT 440 438 441 445 CONECT 441 440 442 443 444 CONECT 442 441 CONECT 443 441 CONECT 444 436 441 CONECT 445 440 446 CONECT 446 445 447 448 CONECT 447 446 CONECT 448 446 END